Aqueous Solubility Prediction Based on Weighted Atom Type Counts and Solvent Accessible Surface Areas

@article{Wang2009AqueousSP,
  title={Aqueous Solubility Prediction Based on Weighted Atom Type Counts and Solvent Accessible Surface Areas},
  author={Junmei Wang and Tingjun Hou and Xiaojie Xu},
  journal={Journal of chemical information and modeling},
  year={2009},
  volume={49 3},
  pages={571-81}
}
In this work, four reliable aqueous solubility models, ASM-ATC (aqueous solubility model based on atom type counts), ASM-ATC-LOGP (aqueous solubility model based on atom type counts and ClogP as an additional descriptor), ASM-SAS (aqueous solubility model based on solvent accessible surface areas), and ASM-SAS-LOGP (aqueous solubility model based on solvent accessible surface areas and ClogP as an additional descriptor), have been developed for a diverse data set of 3664 compounds. All four… CONTINUE READING

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